{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-cubic-crystal" "instance-id" 1 "space-group" { "source-value" "Fm-3c" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.75 0.75 ] [ 0.75 0.25 0.25 ] [ 0.25 0.25 0.25 ] [ 0.75 0.75 0.75 ] [ 0.75 0.75 0.25 ] [ 0.25 0.25 0.75 ] [ 0.75 0.25 0.75 ] [ 0.25 0.75 0.25 ] [ 0.114 0.824381 0 ] [ 0.886 0.824381 0 ] [ 0 0 0 ] [ 0 0.5 0 ] [ 0.114 0.175619 0 ] [ 0 0.675619 0.886 ] [ 0 0.675619 0.114 ] [ 0.675619 0.886 0 ] [ 0.324381 0.114 0 ] [ 0.114 0 0.324381 ] [ 0.114 0 0.675619 ] [ 0.175619 0 0.886 ] [ 0 0.114 0.824381 ] [ 0 0.886 0.824381 ] [ 0.824381 0 0.114 ] [ 0.824381 0 0.886 ] [ 0 0.886 0.175619 ] [ 0.175619 0 0.114 ] [ 0 0.114 0.175619 ] [ 0.675619 0.114 0 ] [ 0 0.324381 0.886 ] [ 0.886 0 0.324381 ] [ 0.886 0 0.675619 ] [ 0 0.324381 0.114 ] [ 0.324381 0.886 0 ] [ 0.886 0.175619 0 ] [ 0.114 0.324381 0.5 ] [ 0.886 0.324381 0.5 ] [ 0 0.5 0.5 ] [ 0 0 0.5 ] [ 0.114 0.675619 0.5 ] [ 0 0.175619 0.386 ] [ 0 0.175619 0.614 ] [ 0.675619 0.386 0.5 ] [ 0.324381 0.614 0.5 ] [ 0.114 0.5 0.824381 ] [ 0.114 0.5 0.175619 ] [ 0.175619 0.5 0.386 ] [ 0 0.614 0.324381 ] [ 0 0.386 0.324381 ] [ 0.824381 0.5 0.614 ] [ 0.824381 0.5 0.386 ] [ 0 0.386 0.675619 ] [ 0.175619 0.5 0.614 ] [ 0 0.614 0.675619 ] [ 0.675619 0.614 0.5 ] [ 0 0.824381 0.386 ] [ 0.886 0.5 0.824381 ] [ 0.886 0.5 0.175619 ] [ 0 0.824381 0.614 ] [ 0.324381 0.386 0.5 ] [ 0.886 0.675619 0.5 ] [ 0.614 0.824381 0.5 ] [ 0.386 0.824381 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0.614 0.175619 0.5 ] [ 0.5 0.675619 0.386 ] [ 0.5 0.675619 0.614 ] [ 0.175619 0.886 0.5 ] [ 0.824381 0.114 0.5 ] [ 0.614 0 0.824381 ] [ 0.614 0 0.175619 ] [ 0.675619 0 0.386 ] [ 0.5 0.114 0.324381 ] [ 0.5 0.886 0.324381 ] [ 0.324381 0 0.614 ] [ 0.324381 0 0.386 ] [ 0.5 0.886 0.675619 ] [ 0.675619 0 0.614 ] [ 0.5 0.114 0.675619 ] [ 0.175619 0.114 0.5 ] [ 0.5 0.324381 0.386 ] [ 0.386 0 0.824381 ] [ 0.386 0 0.175619 ] [ 0.5 0.324381 0.614 ] [ 0.824381 0.886 0.5 ] [ 0.386 0.175619 0.5 ] [ 0.614 0.324381 0 ] [ 0.386 0.324381 0 ] [ 0.5 0.5 0 ] [ 0.5 0 0 ] [ 0.614 0.675619 0 ] [ 0.5 0.175619 0.886 ] [ 0.5 0.175619 0.114 ] [ 0.175619 0.386 0 ] [ 0.824381 0.614 0 ] [ 0.614 0.5 0.324381 ] [ 0.614 0.5 0.675619 ] [ 0.675619 0.5 0.886 ] [ 0.5 0.614 0.824381 ] [ 0.5 0.386 0.824381 ] [ 0.324381 0.5 0.114 ] [ 0.324381 0.5 0.886 ] [ 0.5 0.386 0.175619 ] [ 0.675619 0.5 0.114 ] [ 0.5 0.614 0.175619 ] [ 0.175619 0.614 0 ] [ 0.5 0.824381 0.886 ] [ 0.386 0.5 0.324381 ] [ 0.386 0.5 0.675619 ] [ 0.5 0.824381 0.114 ] [ 0.824381 0.386 0 ] [ 0.386 0.675619 0 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" ] } "a" { "source-value" 10.2658055944 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 4.043053692142857 "source-unit" "eV" } }